5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide

C25H21NO3S — CID 46082863

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide (PubChem CID 46082863) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
• PubChem CID: 46082863
• Molecular Formula: C25H21NO3S
• Molecular Weight: 415.51 g/mol
• Exact Mass: 415.12
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
• SMILES: CN(Cc1cccc2ccccc12)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1
• InChI: InChI=1S/C25H21NO3S/c1-26(16-19-7-4-6-17-5-2-3-8-20(17)19)25(27)24-12-11-23(30-24)18-9-10-21-22(15-18)29-14-13-28-21/h2-12,15H,13-14,16H2,1H3
• InChIKey: XIZWULUEFHXHFW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.51
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide (CID 46082863) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide is CN(Cc1cccc2ccccc12)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

The InChIKey is XIZWULUEFHXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-26(16-19-7-4-6-17-5-2-3-8-20(17)19)25(27)24-12-11-23(30-24)18-9-10-21-22(15-18)29-14-13-28-21/h2-12,15H,13-14,16H2,1H3.

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).